Materials Data on Tb4C5 by Materials Project
Tb4C5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded to five C+2.40- atoms to form TbC5 trigonal bipyramids that share corners with two equivalent CTb5C octahedra, corners with four equivalent TbC5 trigonal bipyramids, and edges with two equivalent TbC5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 36–47°. There are a spread of Tb–C bond distances ranging from 2.43–2.72 Å. In the second Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to nine C+2.40- atoms. There are a spread of Tb–C bond distances ranging from 2.47–2.89 Å. There are three inequivalent C+2.40- sites. In the first C+2.40- site, C+2.40- is bonded to six Tb3+ atoms to form CTb6 octahedra that share corners with four equivalent CTb5C octahedra and edges with six CTb6 octahedra. The corner-sharing octahedral tilt angles are 61°. In the second C+2.40- site, C+2.40- is bonded to five Tb3+ and one C+2.40- atom to form CTb5C octahedra that share corners with six CTb6 octahedra, corners with two equivalent TbC5 trigonal bipyramids, and edges with six CTb6 octahedra. The corner-sharing octahedra tilt angles range from 29–61°. The C–C bond length is 1.33 Å. In the third C+2.40- site, C+2.40- is bonded in a 5-coordinate geometry to six Tb3+ and one C+2.40- atom.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1191072
- Report Number(s):
- mp-15237
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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